AM1 treatment of some prostanoids
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.617, pp.181-187, 2002 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 617
- Publication Date: 2002
- Doi Number: 10.1016/s0166-1280(02)00427-x
- Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Page Numbers: pp.181-187
- Middle East Technical University Affiliated: No
Abstract
Prostaglandins, PGD(2), PGE(2), PGH(2), PGI(2) and thromboxane TXA(2) which are all isomeric to each other were subjected to AM1(RHF) type quantum chemical treatment. PGI(2) was found to be the most stable and most exothermic of all the five, whereas PGH2 stands for the least stable and the least exothermic. Some calculated properties of these structures were also reported. (C) 2002 Elsevier Science B.V. All rights reserved.